SCHEMBL5708249

SCHEMBL5708249

CC(C)(Sc1ccc(OCCc2cccc3nn(-c4ccc(C(F)(F)F)cc4)cc23)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.40
PPARA Q07869 6/20 0.38
PPARD Q03181 5/20 0.38
PPARG P37231 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGER4 P35408 1/20 0.35
DGAT1 O75907 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ADORA1 P30542 1/20 0.34
CMA1 P23946 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5708202 0.87 PARP1 (0.40) ADORA3PPARAPPARDPPARGPTGES
SCHEMBL13791669 0.81 ADORA3 (0.40) ADORA3PPARAPPARDDGAT1SLC22A12
SCHEMBL3970539 0.80 PARP1 (0.42) ADORA3PPARAPPARD
SCHEMBL3965691 0.77 PPARA (0.42) PPARAPPARDPPARGPTGES
SCHEMBL3964883 0.77 PPARD (0.42) PPARAPPARDPPARG
SCHEMBL3965838 0.74 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL3964173 0.73 PPARA (0.51) ADORA3PPARAPPARDPPARGADORA1
SCHEMBL3966215 0.73 PPARD (0.41) PPARAPPARD
SCHEMBL3964282 0.72 PPARD (0.41) PPARAPPARDPPARGSLC22A12
SCHEMBL3968462 0.72 PPARA (0.41) ADORA3PPARAPPARDPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed